SCHEMBL17458779

SCHEMBL17458779

NS(=O)(=O)c1cccc2c1NCCC2

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.47
CA1 P00915 6/20 0.46
CA2 P00918 6/20 0.46
CA9 Q16790 4/20 0.46
CA12 O43570 3/20 0.46
F2 P00734 2/20 0.43
PNMT P11086 1/20 0.41
PTGES2 Q9H7Z7 2/20 0.37
MAPK1 P28482 1/20 0.37
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA7 P43166 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CYP2C9 P11712 1/20 0.36
CA5A P35218 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
CDK2 P24941 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29469805 1.00 SRC (0.47) SRCCA1CA2CA9CA12
SCHEMBL566044 0.90 PNMT (0.47) SRCCA1CA2CA9CA12
SCHEMBL525390 0.83 SRC (0.50) SRCCA1CA2CA9CA12
SCHEMBL7423714 0.83 SRC (0.47) SRCCA1CA2CA9CA12
Hydrochloric Acid SCHEMBL8986751 0.82 SRC (0.49) SRCCA1CA2CA9CA12
SCHEMBL7867515 0.81 SRC (0.44) SRCCA1CA2CA9CA12
SCHEMBL13696856 0.80 F2 (0.44) SRCCA1CA2CA9CA12
SCHEMBL16947604 0.77
SCHEMBL11327517 0.74 PNMT (0.59) CA1CA2CA9CA12PNMT
SCHEMBL29800795 0.74 SRC (0.39) SRCCA1CA2CA9CA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240279207-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER BAYER AKTIENGESELLSCHAFT (DE) 2024-08-22 US disclosed
US-11299496-B2 Ligands for alpha-7 nicotinic acetylcholine receptors and methods of treating neurological and inflammatory conditions NORTHEASTERN UNIVERSITY (US) 2022-04-12 US disclosed
US-10428017-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE S.Á.R.L. (LU) 2019-10-01 US disclosed
US-20180244611-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE S.Á.R.L. (LU) 2018-08-30 US disclosed
US-20180244640-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE S.Á.R.L. (LU) 2018-08-30 US disclosed
WO-2018154493-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie S.à.r.l. (LU) 2018-08-30 WO disclosed
WO-2018154519-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie S.à.r.l. (LU) 2018-08-30 WO disclosed
CN-108191746-A A kind of novel hydroxyl pyridine compounds and preparation method and application 暨南大学 2018-06-22 CN disclosed
US-20170217984-A1 Ligands for Alpha-7 Nicotinic Acetylcholine Receptors and Methods of Treating Neurological and Inflammatory Conditions NORTHEASTERN UNIVERSITY 2017-08-03 US disclosed
EP-3180086-A1 LIGANDS FOR ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS AND METHODS OF TREATING NEUROLOGICAL AND INFLAMMATORY CONDITIONS Northeastern University (US) 2017-06-21 EP disclosed
WO-2016014847-A1 LIGANDS FOR ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS AND METHODS OF TREATING NEUROLOGICAL AND INFLAMMATORY CONDITIONS NORTHEASTERN UNIVERSITY (US) 2016-01-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10428017-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, CLCN2, SCNN1G SRC 3967/4885CA1 4864/4885CA2 1500/4885
US-20180244611-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, CLCN2, SCNN1G SRC 3967/4885CA1 4864/4885CA2 1500/4885
US-20240279207-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER KAT6A, KAT6B, KAT2A SRC 1713/4885CA1 1714/4885CA2 2865/4885
US-20170217984-A1 Ligands for Alpha-7 Nicotinic Acetylcholine Receptors and Methods of Treating Neurological and Inflammatory Conditions CHRNA7, CHRNA10, CHRNA5 SRC 2958/4885CA1 3072/4885CA2 3856/4885
US-20180244640-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, CLCN2, SCNN1G SRC 3967/4885CA1 4864/4885CA2 1500/4885
US-11299496-B2 Ligands for alpha-7 nicotinic acetylcholine receptors and methods of treating neurological and inflammatory conditions CHRNA7, CHRNA10, CHRNA5 SRC 2958/4885CA1 3072/4885CA2 3856/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.